N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-9H-xanthene-9-carboxamide Openeye Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-9H-xanthene-9-carboxamide CAS Name: N-[2-[4-(phenethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-9H-xanthene-9-carboxamide Traditional Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-9H-xanthene-9-carboxamide Formula: C29H26N6O2 MolecularWeight: 490.55574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3CCNC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3CCNC(=O)C4C5=CC=CC=C5OC6=CC=CC=C46

InChI

InChI=1S/C29H26N6O2/c36-29(26-21-10-4-6-12-24(21)37-25-13-7-5-11-22(25)26)31-16-17-35-28-23(18-34-35)27(32-19-33-28)30-15-14-20-8-2-1-3-9-20/h1-13,18-19,26H,14-17H2,(H,31,36)(H,30,32,33)